SCHEMBL17033762

SCHEMBL17033762

Fc1cccc(-c2cc(-c3cccc(F)c3)nc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ADORA2A P29274 1/20 0.31
ACP1 P24666 1/20 0.31
SYK P43405 1/20 0.31
CASP3 P42574 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17033421 0.90 KDM4E (0.34) KDM4ETSHRHSD17B10
SCHEMBL17033669 0.89 KDM4E (0.34) PTGER1KDM4EALDH1A1HTTXBP1
SCHEMBL17033823 0.88 PTGER1 (0.34) PTGER1KDM4EALDH1A1HTTXBP1
SCHEMBL17033436 0.87 TSHR (0.36) KDM4EALDH1A1MAPK1MEN1MAPT
SCHEMBL17033510 0.86 KDM4E (0.35) PTGER1KDM4EALDH1A1HTTXBP1
SCHEMBL17033537 0.86 KDM4E (0.33) PTGER1KDM4EALDH1A1HTTXBP1
SCHEMBL17033777 0.86 HSD17B10 (0.35) KDM4EALDH1A1MAPK1MEN1MAPT
SCHEMBL17033405 0.83 KDM4E (0.34) PTGER1KDM4EALDH1A1HTTXBP1
SCHEMBL17033839 0.83 KDM5B (0.33) PTGER1KDM4EALDH1A1HTTXBP1
SCHEMBL16066196 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HTTXBP1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed